Geometry & MOs

Info

ID:	244379
PubChem CID:	99344388
Reduced:	O2N6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	57.09
Dipole, Da:	6.62
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1[C@@H](CNC(=O)C2=CN=CN2C3=CC=CC=C3)NC(=O)C4=CN=CN4C5=CC=CC=C5

DOS

IR

Vibrations